BDBM50266879 CHEMBL4072678

SMILES: OC(=O)c1ccc(CNC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(ncn2Cc2ccc(Cl)cc2)-c2ccc(F)cc2)cc1

InChI Key: InChIKey=GXZQCNPQFJYAAT-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50266879   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
MDM2-MDMX (Homo sapiens (Human))	BDBM50266879 (CHEMBL4072678) Show SMILES OC(=O)c1ccc(CNC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(ncn2Cc2ccc(Cl)cc2)-c2ccc(F)cc2)cc1 |(10.42,-22.35,;11.96,-22.35,;12.74,-23.68,;12.72,-21.02,;11.95,-19.68,;12.71,-18.35,;14.25,-18.34,;15.01,-17.01,;16.55,-17,;17.32,-15.67,;16.54,-14.33,;18.85,-15.66,;19.75,-16.91,;21.21,-16.42,;22.56,-17.17,;23.87,-16.4,;25.21,-17.16,;23.86,-14.86,;22.54,-14.1,;21.21,-14.89,;19.75,-14.4,;19.27,-12.95,;20.17,-11.7,;19.26,-10.47,;17.8,-10.94,;17.8,-12.48,;16.57,-13.39,;15.17,-12.77,;13.93,-13.69,;12.51,-13.07,;12.35,-11.54,;10.95,-10.91,;13.58,-10.63,;15,-11.24,;21.71,-11.7,;22.46,-10.36,;24,-10.35,;24.77,-11.69,;26.31,-11.67,;24.01,-13.01,;22.47,-13.03,;15.02,-19.67,;14.26,-21.01,)| Show InChI InChI=1S/C33H23Cl2FN4O3/c34-23-9-3-20(4-10-23)17-40-18-38-29(21-7-12-25(36)13-8-21)31(40)28-26-14-11-24(35)15-27(26)39-30(28)32(41)37-16-19-1-5-22(6-2-19)33(42)43/h1-15,18,39H,16-17H2,(H,37,41)(H,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT...				J Med Chem 60: 4234-4244 (2017) Article DOI: 10.1021/acs.jmedchem.7b00104 BindingDB Entry DOI: 10.7270/Q2BK1FT3
					More data for this Ligand-Target Pair
p53-Binding Protein HDMX (Homo sapiens (Human))	BDBM50266879 (CHEMBL4072678) Show SMILES OC(=O)c1ccc(CNC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(ncn2Cc2ccc(Cl)cc2)-c2ccc(F)cc2)cc1 |(10.42,-22.35,;11.96,-22.35,;12.74,-23.68,;12.72,-21.02,;11.95,-19.68,;12.71,-18.35,;14.25,-18.34,;15.01,-17.01,;16.55,-17,;17.32,-15.67,;16.54,-14.33,;18.85,-15.66,;19.75,-16.91,;21.21,-16.42,;22.56,-17.17,;23.87,-16.4,;25.21,-17.16,;23.86,-14.86,;22.54,-14.1,;21.21,-14.89,;19.75,-14.4,;19.27,-12.95,;20.17,-11.7,;19.26,-10.47,;17.8,-10.94,;17.8,-12.48,;16.57,-13.39,;15.17,-12.77,;13.93,-13.69,;12.51,-13.07,;12.35,-11.54,;10.95,-10.91,;13.58,-10.63,;15,-11.24,;21.71,-11.7,;22.46,-10.36,;24,-10.35,;24.77,-11.69,;26.31,-11.67,;24.01,-13.01,;22.47,-13.03,;15.02,-19.67,;14.26,-21.01,)| Show InChI InChI=1S/C33H23Cl2FN4O3/c34-23-9-3-20(4-10-23)17-40-18-38-29(21-7-12-25(36)13-8-21)31(40)28-26-14-11-24(35)15-27(26)39-30(28)32(41)37-16-19-1-5-22(6-2-19)33(42)43/h1-15,18,39H,16-17H2,(H,37,41)(H,42,43)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Binding affinity to human N-terminal MDMx (1 to 134 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT...				J Med Chem 60: 4234-4244 (2017) Article DOI: 10.1021/acs.jmedchem.7b00104 BindingDB Entry DOI: 10.7270/Q2BK1FT3
					More data for this Ligand-Target Pair